Chemical ID: 7143404

CCCCc1ccc(cc1)NC2=NC(=O)C(=Cc3c(cccc3Cl)F)S2
Chemical ID:
7143404
Name [?]:
2-(4-butylphenyl)amino-5-[(2-chloro-6-fluoro-phenyl)methylene]thiazol-4-one
SMILES [?]:
CCCCc1ccc(cc1)NC2=NC(=O)C(=Cc3c(cccc3Cl)F)S2
InChi [?]:
InChI=1/C20H18ClFN2OS/c1-2-3-5-13-8-10-14(11-9-13)23-20-24-19(25)18(26-20)12-15-16(21)6-4-7-17(15)22/h4,6-12H,2-3,5H2,1H3,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,3,21,4,22,20,6,10,7,9,17,5,8,18,23,19,16,14,12,24,25,11,13,15,26/E:(8,9)(10,11)/rA:26nCCCCCCCCCCNCNCOCCCCCCCCClFS/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;s19;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18ClFN2OS
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.579
Area:605.405
Solvation:-2.55611
Coulombic:-35.0655
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:388.887
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.18
LogP (Chemaxon):6.52

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